6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide

C40H53ClN4O3 — CID 139760876

IUPAC6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide
SMILESO=C(CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C40H53ClN4O3/c41-36-14-12-35(13-15-36)40(47)19-24-43(25-20-40)21-7-18-39(33-8-3-1-4-9-33,34-10-5-2-6-11-34)32-38(46)42-37-16-22-44(23-17-37)26-27-45-28-30-48-31-29-45/h1-6,8-15,37,47H,7,16-32H2,(H,42,46)
InChIKeyXGLOTQTULHDUIJ-UHFFFAOYSA-N
MW673.34 g/mol
LogP5.69
Rot. Bonds13

About 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide

6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide (PubChem CID 139760876) has the molecular formula C40H53ClN4O3 and a molecular weight of 673.34 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide
PubChem CID139760876
Molecular FormulaC40H53ClN4O3
Molecular Weight673.34 g/mol
Exact Mass672.38
IUPAC Name6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide
SMILESO=C(CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C40H53ClN4O3/c41-36-14-12-35(13-15-36)40(47)19-24-43(25-20-40)21-7-18-39(33-8-3-1-4-9-33,34-10-5-2-6-11-34)32-38(46)42-37-16-22-44(23-17-37)26-27-45-28-30-48-31-29-45/h1-6,8-15,37,47H,7,16-32H2,(H,42,46)
InChIKeyXGLOTQTULHDUIJ-UHFFFAOYSA-N
XLogP5.69
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.34
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 139760866
4-[[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenylhexanoyl]amino]-N-ethylpiperidine-1-carboxamide;hydrochloride
CID 139760881
6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide
CID 139760885
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea
CID 70101097
methyl 4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidine-1-carboxylate
CID 11072275
N-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-2-piperidin-4-ylacetamide
CID 70099387
ethyl 3-[4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]piperidin-1-yl]-3-oxopropanoate
CID 54020921
4-[[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]carbamoylamino]butanoic acid
CID 70100690
1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]urea
CID 11734303
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea
CID 10995329
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea;hydrochloride
CID 70098155
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
CID 56972186

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide?
The IUPAC name of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide (CID 139760876) is 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide.
What is the SMILES notation for 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide?
The canonical SMILES for 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide is O=C(CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide?
The InChIKey is XGLOTQTULHDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H53ClN4O3/c41-36-14-12-35(13-15-36)40(47)19-24-43(25-20-40)21-7-18-39(33-8-3-1-4-9-33,34-10-5-2-6-11-34)32-38(46)42-37-16-22-44(23-17-37)26-27-45-28-30-48-31-29-45/h1-6,8-15,37,47H,7,16-32H2,(H,42,46).
What are the key properties of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide?
6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide has a molecular weight of 673.34 g/mol, XLogP of 5.69, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3,3-diphenylhexanamide is sourced from PubChem (CID 139760876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).